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INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES · 2025 · IF 8.5

Identification and virtual screening of novel umami peptides from dry-cured ham bone gelatin through molecular docking

Ming Ju,Zixu Wang,Lujuan Xing,Chunxiang Piao,Guanhao Li,Wangang Zhang

This study aimed to identify novel umami peptides (UPs) from dry-cured ham bone gelatin (DHBG) and elucidated their umami mechanism. Gelatin was extracted from dry-cured ham bones using citric acid combined with pepsin with the yield of 13.52 %. Subsequently, DHBG was hydrolyzed using alkaline protease and flavorzyme. Through a combination of peptidomics and virtual screening techniques, two novel umami peptides, YDGE and EVGAP, were identified from the hydrolysate, with binding energies of −7.862 and − 7.861 kcal/mol, respectively. Molecular docking analysis indicated that both peptides could bind to the active site within the T1R3 subunit of the umami taste receptor, with hydrogen bonds as the predominant interaction forces. qPCR analysis showed that both peptides significantly upregulated ( P  < 0.05) mRNA expression of T1R1, T1R3, and their downstream effector PLCβ2 in STC-1 cells. Additionally, at a concentration range of 0.25 to 2 mg/mL, both synthetic peptides, similar to MSG, effectively induced increased intracellular Ca 2+ in STC-1 cells. These findings highlight the potential application of DHBG as a flavoring agent and offer perspectives on the mechanism of interaction between receptors and UPs.

研究领域: 食品科学 · 分子生物学 · 感官科学 · 肽化学 · 营养学
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FOOD CHEMISTRY · 2025 · IF 9.8

Umami-enhancing peptides from Acetes chinensis: Insights into taste mechanism through multiligand docking with T1R1/T1R3

Jianwei Zhu,Li Liang,Ziwen Kang,Jiaqi Chen,Qiuyu Zhu,Baoguo Sun,Yuyu Zhang

This study aimed to explore the umami-enhancing peptides from Acetes chinensis powder (ACP) and their interactions with umami receptors. ACP contained abundant taste substances including free amino acids (90.12 mg/g), nucleotides (6.92 mg/g), organic acids (218.05 mg/g), and peptides (92.03 mg/g). Twelve peptides were detected and screened as potential umami peptides, with ELR, VEAL, and VEL exhibiting notable umami-enhancing effects. Sensory evaluation showed that detection thresholds of the three umami-enhancing peptides were 1.11, 1.71, and 1.00 mmol/L, respectively, and their R values (0.41–0.45) indicated synergistic enhancement of umami with monosodium glutamate. Multiligand molecular docking demonstrated that peptides and glutamate synergistically bind to the umami receptor and enhance umami perception by retaining partial key binding sites and establishing new interactions. Results offer insights into the molecular mechanisms underlying umami enhancement by peptides and highlight the potential of ACP-derived umami peptides as natural flavor enhancers in the food industry.

CAS / MDL: 1303-96-4
研究领域: 食品科学 · 分子感官科学 · 肽化学 · 味觉生物学 · 天然产物
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FOOD RESEARCH INTERNATIONAL · 2025 · IF 8

Novel umami peptides from Takifugu rubripes and evaluation of their umami perception through virtual screening and biolayer interferometry

Xueqian Guo,Xueke Zhou,Shengnan Wang,Mehdi Nikoo,Wenli Wang,Yuan Liu

Umami peptides from Takifugu rubripes muscle contribute significantly to its umami taste. This study employed both enzymatic hydrolysis and ultrasound pretreated enzymatic hydrolysis to generate potential umami peptides from T. rubripes . The umami properties of the identified peptides were evaluated, screened, synthesized, and validated. Through Nano-LC/MS analysis, ultrasound pretreated enzymatic hydrolysis yielded a greater number of peptides of varying size (162 peptides) and showed better umami flavor compared to single enzymatic method. Among the identified sequences, 24 peptides were predicted as umami using Q value, iUmami-SCM, and Umami_YYDS taste models. The umami properties of five synthetic peptides (VDFDDLHR, KEPNRQWTPR, PFGNTHNNFK, YDSTHGRFKGEVK, and TGESGAGKTVNTKR) were further confirmed through sensory evaluation, molecular simulation, and biolayer interferometry (BLI). Sensory evaluation revealed that the intensity thresholds for these peptides ranged from 0.37 to 0.49 mmol/L. Molecular simulations and BLI analyses provided further evidence of high umami intensity for these peptides, as evidenced by their effective interaction with the specific umami T1R1 receptor. Overall, this study provides an effective reference for the study of umami peptides in T. rubripes .

CAS / MDL: 70-18-8
研究领域: 食品科学 · 生物化学 · 分子生物学 · 感官分析 · 生物技术
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